Geometry & MOs

Info

ID:	207961
PubChem CID:	80474681
Reduced:	BrNSO2H12C13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	343.09693
ΔH_f, kcal/mol:	-22.57
Dipole, Da:	1.26
IP(EA), eV:	-8.76(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromothiophen-2-yl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine

Drug info:

PubChemData

Smile

C1C(OC2=CC=CC=C2O1)C(C3=C(C=CS3)Br)N

DOS

IR

Vibrations